6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol

C18H21NO4S — CID 110636787

IUPAC6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc2c(c1)C(O)CCN2S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C18H21NO4S/c1-23-15-7-8-17-16(13-15)18(20)9-11-19(17)24(21,22)12-10-14-5-3-2-4-6-14/h2-8,13,18,20H,9-12H2,1H3
InChIKeyIQQNGDQWIDLLGQ-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.51
Rot. Bonds5

About 6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol

6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 110636787) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
PubChem CID110636787
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESCOc1ccc2c(c1)C(O)CCN2S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C18H21NO4S/c1-23-15-7-8-17-16(13-15)18(20)9-11-19(17)24(21,22)12-10-14-5-3-2-4-6-14/h2-8,13,18,20H,9-12H2,1H3
InChIKeyIQQNGDQWIDLLGQ-UHFFFAOYSA-N
XLogP2.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol (CID 110636787) is 6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol is COc1ccc2c(c1)C(O)CCN2S(=O)(=O)CCc1ccccc1.
What is the InChIKey of 6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is IQQNGDQWIDLLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-23-15-7-8-17-16(13-15)18(20)9-11-19(17)24(21,22)12-10-14-5-3-2-4-6-14/h2-8,13,18,20H,9-12H2,1H3.
What are the key properties of 6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol?
6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 347.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2-phenylethylsulfonyl)-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 110636787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).